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CAS Number: 13731-82-3
2,5-dibromoterephthalic acid

Structure

2,5-dibromoterephthalic acid
Name: 2,5-dibromoterephthalic acid
Synonyms:
General Information
Product Number: 13731823

CAS Registry Number 13731-82-3
Name:
1,​4-​Benzenedicarboxylic acid, 2,​5-​dibromo-
Terephthalic acid, 2,5-dibromo- (6CI,7CI,8CI)
1,4-Dibromo-2,5-benzenedicarboxylic acid
2,5-Dibromo-4-carboxybenzoic acid
2,5-Dibromoterephthalic acid
2,5-Dibromotetrephthalic acid

 

Chemical Formula: C8H4Br2O4
Exact Mass: 321.85
Molecular Weight: 323.92
m/z: 323.85 (100.0%), 321.85 (51.1%), 325.84 (48.4%), 324.85 (8.8%), 322.85 (4.5%), 326.85 (4.4%), 325.85 (1.2%)

 

InChI:InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)

InChI Key:VUTICWRXMKBOSF-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 318 °C   (5)CAS
Melting Point 313 °C   (6)CAS
Melting Point >310 °C   (7)CAS
Melting Point >310 °C   (8)CAS
Melting Point See full text   (3)CAS
Melting Point See full text   (9)IC

Specification

98%

References
  1. (3) Zheng, Shiying; US 20050186445 A1 2005 CAPLUS
  2. (5) McIntyre, J. E.; Journal of the Chemical Society 1961, P4082-5 CAPLUS
  3. (6) Wheeler, A. S.; Journal of the American Chemical Society 1923, V45, P1999-2001 CAPLUS
  4. (7) Cachia, Marc; Bulletin de la Societe Chimique de France 1956, P1234-8 CAPLUS
  5. (8) Cachia, Marc; Bulletin de la Societe Chimique de France 1958, P1418-25 CAPLUS
  6. (9) Kapovits, I.; Tetrahedron 1979, V35(15), P1869-74 CAPLUS
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